5-(1-ethylpiperidin-4-yl)pentanoic acid

C12H23NO2 — CID 165463146

IUPAC5-(1-ethylpiperidin-4-yl)pentanoic acid
SMILESCCN1CCC(CCCCC(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-2-13-9-7-11(8-10-13)5-3-4-6-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyRWNFJKJNQPJHTG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 5-(1-ethylpiperidin-4-yl)pentanoic acid

5-(1-ethylpiperidin-4-yl)pentanoic acid (PubChem CID 165463146) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1-ethylpiperidin-4-yl)pentanoic acid
PubChem CID165463146
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-(1-ethylpiperidin-4-yl)pentanoic acid
SMILESCCN1CCC(CCCCC(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-2-13-9-7-11(8-10-13)5-3-4-6-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyRWNFJKJNQPJHTG-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556
4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
8-cyclobutyloctanoic acid
CID 72551210
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
5-[5-(1-ethylpiperidin-4-yl)pentoxy]pentan-1-ol
CID 142365203
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-4-yl)pentanoic acid?
The IUPAC name of 5-(1-ethylpiperidin-4-yl)pentanoic acid (CID 165463146) is 5-(1-ethylpiperidin-4-yl)pentanoic acid.
What is the SMILES notation for 5-(1-ethylpiperidin-4-yl)pentanoic acid?
The canonical SMILES for 5-(1-ethylpiperidin-4-yl)pentanoic acid is CCN1CCC(CCCCC(=O)O)CC1.
What is the InChIKey of 5-(1-ethylpiperidin-4-yl)pentanoic acid?
The InChIKey is RWNFJKJNQPJHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-13-9-7-11(8-10-13)5-3-4-6-12(14)15/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 5-(1-ethylpiperidin-4-yl)pentanoic acid?
5-(1-ethylpiperidin-4-yl)pentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-4-yl)pentanoic acid is sourced from PubChem (CID 165463146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).